HRID157656

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID4837

Piperazine

C4H10N2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6342

Acetonitrile

C2H3N

HCID81531

Diisopropylethylamine

C8H19N

HCID2758336

2,4-Difluoro-1-(methanesulfonyl)benzene

C7H6F2O2S

HCID58707338

未命名化合物

结构：CC(Nc1cc(F)ccc1S(C)(=O)=O)c1cc(Cl)cc2c1OCO2

HCID67147537

未命名化合物

PRODUCTS

生成物

结构：CC(Nc1cc(N2CCNCC2)ccc1S(C)(=O)=O)c1cc(Cl)cc2c1OCO2

HCID58707264

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-29f43fd8defe4fceb61e01843bdf24cd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:59]1[CH2:60][NH:61][CH2:62][CH2:63][NH:64]1.[CH3:65][N:66]([CH3:67])[CH:68]=[O:69].[CH3:70][C:71]#[N:72].[CH:26]([N:27]([CH:28]([CH3:29])[CH3:30])[CH2:31][CH3:32])([CH3:33])[CH3:34].[Cl:1][c:2]1[cH:3][c:4]([CH:5]([NH2:6])[CH3:7])[c:8]2[c:12]([cH:13]1)[O:11][CH2:10][O:9]2.[Cl:35][c:36]1[cH:37][c:38]2[c:39]([c:43]([CH:45]([CH3:46])[NH:47][c:48]3[c:49]([S:55](=[O:56])(=[O:57])[CH3:58])[cH:50][cH:51][c:52]([F:54])[cH:53]3)[cH:44]1)[O:40][CH2:41][O:42]2.[F:14][c:15]1[cH:16][c:17]([F:18])[cH:19][cH:20][c:21]1[S:22]([CH3:23])(=[O:24])=[O:25].[OH2:73]>>[Cl:35][c:36]1[cH:37][c:38]2[c:39]([c:43]([CH:45]([CH3:46])[NH:47][c:48]3[c:49]([S:55](=[O:56])(=[O:57])[CH3:58])[cH:50][cH:51][c:52]([N:61]4[CH2:60][CH2:59][NH:64][CH2:63][CH2:62]4)[cH:53]3)[cH:44]1)[O:40][CH2:41][O:42]2